#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:02:58 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180409 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/78/7207800.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7207800
loop_
_publ_author_name
'Koskinen, Laura'
'Jääskeläinen, Sirpa'
'Oresmaa, Larisa'
'Haukka, Matti'
_publ_section_title
;
 Argentophilic interactions in multinuclear Ag complexes of imidazole
 containing Schiff bases
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3509
_journal_paper_doi               10.1039/c2ce06550a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C13 H18 Ag N6, C F3 O3 S'
_chemical_formula_sum            'C14 H18 Ag F3 N6 O3 S'
_chemical_formula_weight         515.27
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.456(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.1692(7)
_cell_length_b                   6.8605(2)
_cell_length_c                   28.4044(8)
_cell_measurement_reflns_used    11845
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     3682.5(2)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Diamond v.3.1e (Brandenburg, 2007)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            55255
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    1.267
_exptl_absorpt_correction_T_max  0.9290
_exptl_absorpt_correction_T_min  0.7584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v.2.10 (Sheldrick, 2003)'
_exptl_crystal_colour            needle
_exptl_crystal_density_diffrn    1.859
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       colourless
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     509
_refine_ls_number_reflns         8431
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0247P)²+6.2108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                5935
_reflns_number_total             8431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce06550a.txt
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7207800
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.485948(14) 0.29479(4) 0.263893(9) 0.02766(8) Uani 1 1 d .
S3 S 0.33771(5) 0.70028(14) 0.40638(3) 0.0282(2) Uani 1 1 d .
F1 F 0.30539(12) 0.8121(4) 0.48363(9) 0.0481(6) Uani 1 1 d .
F2 F 0.31621(11) 0.5012(3) 0.47857(8) 0.0419(6) Uani 1 1 d .
F3 F 0.22374(11) 0.6476(4) 0.42934(8) 0.0449(6) Uani 1 1 d .
O1 O 0.41137(13) 0.7081(4) 0.43837(10) 0.0345(6) Uani 1 1 d .
O2 O 0.31776(14) 0.5308(4) 0.37463(9) 0.0390(7) Uani 1 1 d .
O3 O 0.30844(14) 0.8808(4) 0.38227(10) 0.0387(7) Uani 1 1 d .
N1 N 0.50168(14) 0.3274(4) 0.34445(10) 0.0211(6) Uani 1 1 d .
N2 N 0.46971(15) 0.2812(4) 0.41029(10) 0.0231(6) Uani 1 1 d .
N3 N 0.37707(15) 0.1513(4) 0.28103(10) 0.0232(6) Uani 1 1 d .
N4 N 0.55017(14) 0.2662(4) 0.21262(10) 0.0202(6) Uani 1 1 d .
N5 N 0.40887(15) 0.3860(4) 0.18085(10) 0.0235(6) Uani 1 1 d .
N6 N 0.40087(14) 0.3866(4) 0.10107(10) 0.0216(6) Uani 1 1 d .
C1 C 0.55544(18) 0.3857(5) 0.38650(13) 0.0251(8) Uani 1 1 d .
H1 H 0.5994 0.4374 0.3870 0.030 Uiso 1 1 calc R
C2 C 0.53660(19) 0.3584(5) 0.42803(13) 0.0271(8) Uani 1 1 d .
H2 H 0.5641 0.3871 0.4620 0.033 Uiso 1 1 calc R
C3 C 0.4302(2) 0.2199(5) 0.44240(13) 0.0290(8) Uani 1 1 d .
H3A H 0.3798 0.2483 0.4255 0.043 Uiso 1 1 calc R
H3B H 0.4478 0.2908 0.4743 0.043 Uiso 1 1 calc R
H3C H 0.4366 0.0796 0.4489 0.043 Uiso 1 1 calc R
C4 C 0.45023(17) 0.2649(5) 0.35982(11) 0.0196(7) Uani 1 1 d .
C5 C 0.38428(17) 0.1825(5) 0.32674(12) 0.0210(7) Uani 1 1 d .
H5 H 0.3472 0.1525 0.3389 0.025 Uiso 1 1 calc R
C6 C 0.68718(18) 0.5517(5) 0.25065(13) 0.0254(8) Uani 1 1 d .
H6A H 0.7135 0.6369 0.2792 0.030 Uiso 1 1 calc R
H6B H 0.7180 0.5250 0.2309 0.030 Uiso 1 1 calc R
C7 C 0.66875(18) 0.3604(5) 0.27060(12) 0.0228(7) Uani 1 1 d .
H7A H 0.6413 0.3902 0.2926 0.027 Uiso 1 1 calc R
H7B H 0.7132 0.2961 0.2915 0.027 Uiso 1 1 calc R
C8 C 0.62627(17) 0.2176(5) 0.22997(12) 0.0225(7) Uani 1 1 d .
H8A H 0.6432 0.2231 0.2012 0.027 Uiso 1 1 calc R
H8B H 0.6335 0.0833 0.2436 0.027 Uiso 1 1 calc R
C9 C 0.51735(17) 0.2976(5) 0.16614(12) 0.0207(7) Uani 1 1 d .
H9 H 0.5410 0.2842 0.1427 0.025 Uiso 1 1 calc R
C10 C 0.44351(17) 0.3538(5) 0.14933(12) 0.0213(7) Uani 1 1 d .
C11 C 0.34199(18) 0.4398(5) 0.15130(13) 0.0277(8) Uani 1 1 d .
H11 H 0.3050 0.4717 0.1634 0.033 Uiso 1 1 calc R
C12 C 0.33611(18) 0.4409(5) 0.10200(13) 0.0255(8) Uani 1 1 d .
H12 H 0.2953 0.4729 0.0740 0.031 Uiso 1 1 calc R
C13 C 0.41814(19) 0.3634(5) 0.05568(12) 0.0261(8) Uani 1 1 d .
H13A H 0.4657 0.3079 0.0644 0.039 Uiso 1 1 calc R
H13B H 0.4167 0.4908 0.0397 0.039 Uiso 1 1 calc R
H13C H 0.3837 0.2760 0.0323 0.039 Uiso 1 1 calc R
C14 C 0.29320(19) 0.6636(6) 0.45131(14) 0.0299(8) Uani 1 1 d .
Ag1B Ag 0.016602(14) 0.22436(4) 0.244706(10) 0.02936(8) Uani 1 1 d .
S1B S 0.15884(5) -0.25541(13) 0.07269(3) 0.0263(2) Uani 1 1 d .
F1B F 0.19823(12) 0.0789(3) 0.04642(9) 0.0453(6) Uani 1 1 d .
F2B F 0.28092(11) -0.0784(3) 0.10226(9) 0.0436(6) Uani 1 1 d .
F3B F 0.20121(12) 0.0682(3) 0.12296(9) 0.0449(6) Uani 1 1 d .
O1B O 0.17765(14) -0.3457(4) 0.03327(9) 0.0380(7) Uani 1 1 d .
O2B O 0.18226(14) -0.3578(4) 0.11976(9) 0.0360(6) Uani 1 1 d .
O3B O 0.08755(13) -0.1827(4) 0.05706(10) 0.0382(7) Uani 1 1 d .
N1B N 0.08848(14) 0.1596(4) 0.32557(10) 0.0259(7) Uani 1 1 d .
N2B N 0.09822(15) 0.1636(4) 0.40545(10) 0.0250(6) Uani 1 1 d .
N3B N -0.05341(14) 0.2646(4) 0.29416(10) 0.0217(6) Uani 1 1 d .
N4B N 0.12294(15) 0.3705(4) 0.21982(10) 0.0234(6) Uani 1 1 d .
N5B N -0.00801(15) 0.2050(4) 0.16414(10) 0.0233(6) Uani 1 1 d .
N6B N 0.01145(16) 0.2451(4) 0.09349(10) 0.0274(7) Uani 1 1 d .
C1B C 0.15666(19) 0.1161(6) 0.35436(14) 0.0324(9) Uani 1 1 d .
H1B H 0.1936 0.0883 0.3418 0.039 Uiso 1 1 calc R
C2B C 0.16365(19) 0.1186(6) 0.40384(14) 0.0329(9) Uani 1 1 d .
H2B H 0.2056 0.0939 0.4317 0.039 Uiso 1 1 calc R
C3B C 0.0813(2) 0.1875(5) 0.45116(13) 0.0312(9) Uani 1 1 d .
H3B1 H 0.1022 0.3092 0.4679 0.047 Uiso 1 1 calc R
H3B2 H 0.1007 0.0774 0.4738 0.047 Uiso 1 1 calc R
H3B3 H 0.0299 0.1919 0.4424 0.047 Uiso 1 1 calc R
C4B C 0.05413(17) 0.1888(5) 0.35716(12) 0.0218(7) Uani 1 1 d .
C5B C -0.02056(18) 0.2385(5) 0.34069(12) 0.0217(7) Uani 1 1 d .
H5B H -0.0442 0.2511 0.3642 0.026 Uiso 1 1 calc R
C6B C -0.12942(17) 0.3096(5) 0.27609(13) 0.0244(8) Uani 1 1 d .
H6B1 H -0.1369 0.4450 0.2632 0.029 Uiso 1 1 calc R
H6B2 H -0.1471 0.3003 0.3044 0.029 Uiso 1 1 calc R
C7B C 0.17096(18) 0.6705(5) 0.26539(13) 0.0257(8) Uani 1 1 d .
H7B1 H 0.1435 0.6473 0.2877 0.031 Uiso 1 1 calc R
H7B2 H 0.2159 0.7345 0.2857 0.031 Uiso 1 1 calc R
C8B C 0.18836(17) 0.4730(5) 0.24729(13) 0.0265(8) Uani 1 1 d .
H8B1 H 0.2164 0.4931 0.2252 0.032 Uiso 1 1 calc R
H8B2 H 0.2170 0.3940 0.2765 0.032 Uiso 1 1 calc R
C9B C 0.10863(18) 0.3377(5) 0.17325(13) 0.0230(8) Uani 1 1 d .
H9B H 0.1423 0.3651 0.1576 0.028 Uiso 1 1 calc R
C10B C 0.03976(18) 0.2576(5) 0.14446(12) 0.0219(7) Uani 1 1 d .
C11B C -0.06840(19) 0.1574(5) 0.12488(13) 0.0286(8) Uani 1 1 d .
H11B H -0.1114 0.1131 0.1279 0.034 Uiso 1 1 calc R
C12B C -0.0568(2) 0.1839(5) 0.08135(14) 0.0321(9) Uani 1 1 d .
H12B H -0.0900 0.1636 0.0485 0.039 Uiso 1 1 calc R
C13B C 0.0458(2) 0.2870(6) 0.05701(13) 0.0352(9) Uani 1 1 d .
H13D H 0.0885 0.3646 0.0731 0.053 Uiso 1 1 calc R
H13E H 0.0132 0.3600 0.0287 0.053 Uiso 1 1 calc R
H13F H 0.0587 0.1643 0.0448 0.053 Uiso 1 1 calc R
C14B C 0.21226(19) -0.0360(5) 0.08654(14) 0.0298(8) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N4 139.96(10) . . ?
N1 Ag1 N5 142.89(9) . . ?
N4 Ag1 N5 73.27(9) . . yes
N1 Ag1 N3 70.72(9) . . yes
N4 Ag1 N3 142.65(9) . . ?
N5 Ag1 N3 89.05(9) . . ?
N1 Ag1 Ag1 110.25(7) . 2_645 ?
N4 Ag1 Ag1 67.00(7) . 2_645 ?
N5 Ag1 Ag1 97.45(7) . 2_645 ?
N3 Ag1 Ag1 83.61(6) . 2_645 ?
N1 Ag1 Ag1 98.83(7) . 2_655 ?
N4 Ag1 Ag1 76.90(7) . 2_655 ?
N5 Ag1 Ag1 68.66(7) . 2_655 ?
N3 Ag1 Ag1 127.42(6) . 2_655 ?
Ag1 Ag1 Ag1 143.802(15) 2_645 2_655 yes
O3 S3 O2 114.75(16) . . ?
O3 S3 O1 115.33(16) . . ?
O2 S3 O1 115.10(16) . . ?
O3 S3 C14 103.45(16) . . ?
O2 S3 C14 103.27(17) . . ?
O1 S3 C14 102.43(16) . . ?
C4 N1 C1 106.3(3) . . ?
C4 N1 Ag1 117.5(2) . . ?
C1 N1 Ag1 136.0(2) . . ?
C4 N2 C2 107.8(3) . . ?
C4 N2 C3 128.0(3) . . ?
C2 N2 C3 124.1(3) . . ?
C5 N3 C6 117.8(3) . 2_645 ?
C5 N3 Ag1 108.9(2) . . ?
C6 N3 Ag1 133.3(2) 2_645 . ?
C9 N4 C8 119.2(3) . . ?
C9 N4 Ag1 116.4(2) . . ?
C8 N4 Ag1 124.38(19) . . ?
C10 N5 C11 105.6(3) . . ?
C10 N5 Ag1 107.7(2) . . ?
C11 N5 Ag1 146.3(2) . . ?
C10 N6 C12 107.3(3) . . ?
C10 N6 C13 127.7(3) . . ?
C12 N6 C13 124.9(3) . . ?
N1 C1 C2 109.8(3) . . ?
N1 C1 H1 125.1 . . ?
C2 C1 H1 125.1 . . ?
N2 C2 C1 105.6(3) . . ?
N2 C2 H2 127.2 . . ?
C1 C2 H2 127.2 . . ?
N2 C3 H3A 109.5 . . ?
N2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
N2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 N2 110.5(3) . . ?
N1 C4 C5 123.9(3) . . ?
N2 C4 C5 125.5(3) . . ?
N3 C5 C4 118.6(3) . . ?
N3 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
N3 C6 C7 110.6(3) 2_655 . ?
N3 C6 H6A 109.5 2_655 . ?
C7 C6 H6A 109.5 . . ?
N3 C6 H6B 109.5 2_655 . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
C6 C7 C8 114.6(3) . . ?
C6 C7 H7A 108.6 . . ?
C8 C7 H7A 108.6 . . ?
C6 C7 H7B 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.6 . . ?
N4 C8 C7 110.5(3) . . ?
N4 C8 H8A 109.5 . . ?
C7 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
N4 C9 C10 119.3(3) . . ?
N4 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
N5 C10 N6 110.8(3) . . ?
N5 C10 C9 122.9(3) . . ?
N6 C10 C9 126.3(3) . . ?
C12 C11 N5 110.2(3) . . ?
C12 C11 H11 124.9 . . ?
N5 C11 H11 124.9 . . ?
C11 C12 N6 106.1(3) . . ?
C11 C12 H12 126.9 . . ?
N6 C12 H12 126.9 . . ?
N6 C13 H13A 109.5 . . ?
N6 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N6 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
F3 C14 F1 107.3(3) . . ?
F3 C14 F2 107.4(3) . . ?
F1 C14 F2 107.0(3) . . ?
F3 C14 S3 112.4(2) . . ?
F1 C14 S3 111.1(3) . . ?
F2 C14 S3 111.3(2) . . ?
N5B Ag1B N1B 151.30(10) . . ?
N5B Ag1B N3B 132.82(10) . . ?
N1B Ag1B N3B 73.91(9) . . yes
N5B Ag1B N4B 69.72(10) . . yes
N1B Ag1B N4B 93.03(9) . . ?
N3B Ag1B N4B 145.61(9) . . ?
N5B Ag1B Ag1B 92.87(8) . 2_545 ?
N1B Ag1B Ag1B 78.37(8) . 2_545 ?
N3B Ag1B Ag1B 83.72(7) . 2_545 ?
N4B Ag1B Ag1B 125.46(6) . 2_545 ?
N5B Ag1B Ag1B 99.74(7) . 2 ?
N1B Ag1B Ag1B 100.11(8) . 2 ?
N3B Ag1B Ag1B 70.15(7) . 2 ?
N4B Ag1B Ag1B 81.48(6) . 2 ?
Ag1B Ag1B Ag1B 152.971(16) 2_545 2 yes
O2B S1B O3B 115.17(16) . . ?
O2B S1B O1B 114.99(17) . . ?
O3B S1B O1B 114.55(16) . . ?
O2B S1B C14B 103.12(16) . . ?
O3B S1B C14B 103.49(16) . . ?
O1B S1B C14B 103.16(17) . . ?
C4B N1B C1B 106.4(3) . . ?
C4B N1B Ag1B 110.6(2) . . ?
C1B N1B Ag1B 142.7(2) . . ?
C4B N2B C2B 107.0(3) . . ?
C4B N2B C3B 127.5(3) . . ?
C2B N2B C3B 125.5(3) . . ?
C5B N3B C6B 119.7(3) . . ?
C5B N3B Ag1B 113.9(2) . . ?
C6B N3B Ag1B 126.3(2) . . ?
C9B N4B C8B 118.4(3) . . ?
C9B N4B Ag1B 107.3(2) . . ?
C8B N4B Ag1B 134.3(2) . . ?
C10B N5B C11B 107.0(3) . . ?
C10B N5B Ag1B 119.8(2) . . ?
C11B N5B Ag1B 133.0(2) . . ?
C10B N6B C12B 107.4(3) . . ?
C10B N6B C13B 128.0(3) . . ?
C12B N6B C13B 124.6(3) . . ?
C2B C1B N1B 109.5(3) . . ?
C2B C1B H1B 125.2 . . ?
N1B C1B H1B 125.2 . . ?
C1B C2B N2B 106.5(3) . . ?
C1B C2B H2B 126.8 . . ?
N2B C2B H2B 126.8 . . ?
N2B C3B H3B1 109.5 . . ?
N2B C3B H3B2 109.5 . . ?
H3B1 C3B H3B2 109.5 . . ?
N2B C3B H3B3 109.5 . . ?
H3B1 C3B H3B3 109.5 . . ?
H3B2 C3B H3B3 109.5 . . ?
N1B C4B N2B 110.6(3) . . ?
N1B C4B C5B 123.0(3) . . ?
N2B C4B C5B 126.4(3) . . ?
N3B C5B C4B 118.3(3) . . ?
N3B C5B H5B 120.8 . . ?
C4B C5B H5B 120.8 . . ?
N3B C6B C7B 111.3(3) . 2_545 ?
N3B C6B H6B1 109.4 . . ?
C7B C6B H6B1 109.4 2_545 . ?
N3B C6B H6B2 109.4 . . ?
C7B C6B H6B2 109.4 2_545 . ?
H6B1 C6B H6B2 108.0 . . ?
C6B C7B C8B 115.1(3) 2 . ?
C6B C7B H7B1 108.5 2 . ?
C8B C7B H7B1 108.5 . . ?
C6B C7B H7B2 108.5 2 . ?
C8B C7B H7B2 108.5 . . ?
H7B1 C7B H7B2 107.5 . . ?
N4B C8B C7B 109.6(3) . . ?
N4B C8B H8B1 109.7 . . ?
C7B C8B H8B1 109.7 . . ?
N4B C8B H8B2 109.7 . . ?
C7B C8B H8B2 109.7 . . ?
H8B1 C8B H8B2 108.2 . . ?
N4B C9B C10B 118.5(3) . . ?
N4B C9B H9B 120.7 . . ?
C10B C9B H9B 120.7 . . ?
N5B C10B N6B 109.6(3) . . ?
N5B C10B C9B 124.1(3) . . ?
N6B C10B C9B 125.9(3) . . ?
C12B C11B N5B 108.9(3) . . ?
C12B C11B H11B 125.5 . . ?
N5B C11B H11B 125.5 . . ?
C11B C12B N6B 107.0(3) . . ?
C11B C12B H12B 126.5 . . ?
N6B C12B H12B 126.5 . . ?
N6B C13B H13D 109.5 . . ?
N6B C13B H13E 109.5 . . ?
H13D C13B H13E 109.5 . . ?
N6B C13B H13F 109.5 . . ?
H13D C13B H13F 109.5 . . ?
H13E C13B H13F 109.5 . . ?
F2B C14B F1B 107.5(3) . . ?
F2B C14B F3B 107.0(3) . . ?
F1B C14B F3B 107.6(3) . . ?
F2B C14B S1B 111.2(3) . . ?
F1B C14B S1B 111.9(3) . . ?
F3B C14B S1B 111.4(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.209(3) . yes
Ag1 N4 2.271(3) . yes
Ag1 N5 2.410(3) . yes
Ag1 N3 2.603(3) . yes
Ag1 Ag1 3.6088(4) 2_645 yes
Ag1 Ag1 3.6088(4) 2_655 yes
S3 O3 1.438(3) . ?
S3 O2 1.440(3) . ?
S3 O1 1.446(3) . ?
S3 C14 1.816(4) . ?
F1 C14 1.336(4) . ?
F2 C14 1.343(4) . ?
F3 C14 1.324(4) . ?
N1 C4 1.330(4) . ?
N1 C1 1.363(4) . ?
N2 C4 1.352(4) . ?
N2 C2 1.371(4) . ?
N2 C3 1.467(4) . ?
N3 C5 1.273(4) . ?
N3 C6 1.463(4) 2_645 ?
N4 C9 1.271(4) . ?
N4 C8 1.477(4) . ?
N5 C10 1.333(4) . ?
N5 C11 1.367(4) . ?
N6 C10 1.358(4) . ?
N6 C12 1.367(4) . ?
N6 C13 1.457(4) . ?
C1 C2 1.373(5) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.448(5) . ?
C5 H5 0.9500 . ?
C6 N3 1.463(4) 2_655 ?
C6 C7 1.526(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.528(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.449(5) . ?
C9 H9 0.9500 . ?
C11 C12 1.363(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
Ag1B N5B 2.169(3) . yes
Ag1B N1B 2.291(3) . yes
Ag1B N3B 2.330(3) . yes
Ag1B N4B 2.677(3) . yes
Ag1B Ag1B 3.5279(4) 2_545 yes
Ag1B Ag1B 3.5279(4) 2 yes
S1B O2B 1.436(3) . ?
S1B O3B 1.438(3) . ?
S1B O1B 1.442(3) . ?
S1B C14B 1.813(4) . ?
F1B C14B 1.332(4) . ?
F2B C14B 1.330(4) . ?
F3B C14B 1.338(4) . ?
N1B C4B 1.326(4) . ?
N1B C1B 1.365(4) . ?
N2B C4B 1.360(4) . ?
N2B C2B 1.372(4) . ?
N2B C3B 1.462(4) . ?
N3B C5B 1.267(4) . ?
N3B C6B 1.469(4) . ?
N4B C9B 1.271(4) . ?
N4B C8B 1.458(4) . ?
N5B C10B 1.322(4) . ?
N5B C11B 1.373(4) . ?
N6B C10B 1.361(4) . ?
N6B C12B 1.364(5) . ?
N6B C13B 1.462(4) . ?
C1B C2B 1.363(5) . ?
C1B H1B 0.9500 . ?
C2B H2B 0.9500 . ?
C3B H3B1 0.9800 . ?
C3B H3B2 0.9800 . ?
C3B H3B3 0.9800 . ?
C4B C5B 1.453(5) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.520(5) 2_545 ?
C6B H6B1 0.9900 . ?
C6B H6B2 0.9900 . ?
C7B C6B 1.520(5) 2 ?
C7B C8B 1.533(5) . ?
C7B H7B1 0.9900 . ?
C7B H7B2 0.9900 . ?
C8B H8B1 0.9900 . ?
C8B H8B2 0.9900 . ?
C9B C10B 1.451(5) . ?
C9B H9B 0.9500 . ?
C11B C12B 1.348(5) . ?
C11B H11B 0.9500 . ?
C12B H12B 0.9500 . ?
C13B H13D 0.9800 . ?
C13B H13E 0.9800 . ?
C13B H13F 0.9800 . ?
